N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide

C17H27N3O — CID 64590485

IUPACN-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-14(2)18-11-17(21)19-16-9-6-10-20(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3,(H,19,21)
InChIKeyQVWJYHDBXHIUMI-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.77
Rot. Bonds6

About N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide

N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide (PubChem CID 64590485) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
PubChem CID64590485
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-14(2)18-11-17(21)19-16-9-6-10-20(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3,(H,19,21)
InChIKeyQVWJYHDBXHIUMI-UHFFFAOYSA-N
XLogP1.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
3-[(1-benzylpiperidin-3-yl)amino]-2-methylbutanoic acid
CID 79396709
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide
CID 61464041
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide (CID 64590485) is N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide?
The InChIKey is QVWJYHDBXHIUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)18-11-17(21)19-16-9-6-10-20(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3,(H,19,21).
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide?
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 64590485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).